SCHEMBL4844148

SCHEMBL4844148

CC(C)(C)C(CCBr)[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.47
▸ CTSS P25774 4/20 0.47
▸ CTSB P07858 4/20 0.47
▸ CTSK P43235 3/20 0.47
▸ SYK P43405 1/20 0.46
▸ ELANE P08246 1/20 0.46
▸ ATM Q13315 2/20 0.45
▸ ECE1 P42892 2/20 0.45
▸ MME P08473 1/20 0.45
▸ CTRB1 P17538 2/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4974719 0.85 CASP3 (0.54) CTSLCTSSCTSBCTSKSYK
SCHEMBL3221956 0.81 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL3221965 0.81 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL2580714 0.81 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL7373971 0.81 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL220569 0.80 CTSL (0.63) CTSLCTSSCTSBCTSKELANE
SCHEMBL1287168 0.80 CTSL (0.63) CTSLCTSSCTSBCTSKELANE
SCHEMBL8671882 0.80 CTSL (0.63) CTSLCTSSCTSBCTSKELANE
SCHEMBL2978398 0.80 CTSL (0.63) CTSLCTSSCTSBCTSKELANE
SCHEMBL20529450 0.80 CTRB1 (0.60) CTSLCTSSCTSBCTSKATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 — — WO disclosed
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